Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7043691 | 0.96 | HTR3A (0.39) | CHRNB2CHRNA4PIM1NPC1TP53 | |
| SCHEMBL7042860 | 0.88 | PIM1 (0.41) | CHRNB2CHRNA4CHRNA1CHRNA7PIM1 | |
| SCHEMBL7041756 | 0.87 | CHRNB2 (0.43) | CHRNB2CHRNA4CHRNA1CHRNA7PIM1 | |
| SCHEMBL7045539 | 0.85 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNA1CHRNA7PIM1 | |
| SCHEMBL7045004 | 0.85 | PIM1 (0.38) | CHRNB2CHRNA4PIM1TP53HRH4 | |
| SCHEMBL5621957 | 0.84 | PARP1 (0.49) | CHRNB2CHRNA4CHRNA1CHRNA7PIM1 | |
| SCHEMBL7037681 | 0.83 | HTR3A (0.39) | PIM1PARP1HTR3ANAMPT | |
| SCHEMBL6864445 | 0.83 | PARP1 (0.46) | PIM1PARP1HTR3ANPY5R | |
| SCHEMBL7038510 | 0.80 | KCNH2 (0.37) | TP53HRH4PARP1HTR3ANAMPT | |
| SCHEMBL5621360 | 0.78 | PARP1 (0.53) | PARP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |